Lattice dynamics of ND4I and NH4I crystals

The phonon dispersion curves and one phonon density of states for ND₄I and NH₄I crystals in the sodium chloride structure have been calculated by making use of the deformation dipole model of Hardy incorporating general short range forces out to second neighbours. Since the electronic configuration of both the compounds is identical, we have used the input data of NH₄I to calculate the model parameters for both the crystals. The results have been compared in the three principal symmetry directions with the neutron scattering measurements available only in case of ND₄I. The theoretical results show a reasonably good agreement with the experimental data.